orbital_charges     :real:2:9,4
  0.447995332341472E+000  0.117321171661908E+000  0.117314302804951E+000
  0.460448207915049E-001  0.949306191658622E+000  0.951717747084108E+000
  0.961450382899451E+000  0.949305977935485E+000  0.959552300943005E+000
  0.447982763885527E+000  0.117320121818273E+000  0.117317494653275E+000
  0.460405380776120E-001  0.949310072084864E+000  0.951712904402789E+000
  0.961459814029363E+000  0.949308664975076E+000  0.959540239950496E+000
  0.447982764266167E+000  0.117324363541891E+000  0.117313252847057E+000
  0.460405382320553E-001  0.949308879109329E+000  0.951712904480501E+000
  0.961450652589106E+000  0.949309858386314E+000  0.959549400989701E+000
  0.447994164200450E+000  0.117325422764116E+000  0.117318553984958E+000
  0.460361078222196E-001  0.949312420956945E+000  0.951710280635500E+000
  0.961459451119319E+000  0.949312206678968E+000  0.959537935397613E+000
forces              :real:2:3,4
 -0.226765713873256E-006 -0.755322027701233E-007 -0.280606930191940E-007
  0.300499589794834E-006  0.332500940572467E-006 -0.361462370493393E-006
  0.300456018148543E-006 -0.408877361454674E-006  0.285029125385305E-006
 -0.374189894097876E-006  0.151908623680086E-006  0.104493938113404E-006
mermin_energy       :real:0:
 -0.553522275553576E+001
end_coords          :real:2:3,4
  0.394733400844393E-001 -0.198378499023040E-001 -0.198340896280469E-001
  0.310807428237322E+001  0.316601966119228E+001 -0.194276670614701E-001
  0.310807430178773E+001 -0.194313903964993E-001  0.316601595852715E+001
  0.386384512606123E-001  0.316561994516514E+001  0.316561623981002E+001
